496 citations · 720 across the 7 of their papers we have counts for
12 papers · 1 filter
The Stochastic Self-Consistent Harmonic Approximation: Calculating Vibrational Properties of Materials with Full Quantum and Anharmonic Effects
Lorenzo Monacelli, Raffaello Bianco, Marco Cherubini +3
The efficient and accurate calculation of how ionic quantum and thermal fluctuations impact the free energy of a crystal, its atomic structure, and phonon spectrum is one of the ma…
Phonon collapse and van der Waals melting of the 3D charge density wave of VSe
Josu Diego, A. H. Said, S. K. Mahatha +7
Among transition metal dichalcogenides (TMDs), VSe is considered to develop a purely 3-dimensional (3D) charge-density wave (CDW) at T=110 K. Here, by means of high res…
Theory of the thickness dependence of the charge density wave transition in 1T-TiTe
Jianqiang Sky Zhou, Raffaello Bianco, Lorenzo Monacelli +3
Most metallic transition metal dichalcogenides undergo charge density wave (CDW) instabilities with similar or identical ordering vectors in bulk and in single layer, albeit with d…
Black metal hydrogen above 360 GPa driven by proton quantum fluctuations
Lorenzo Monacelli, Ion Errea, Matteo Calandra +1
Production of metallic hydrogen is one of the top three open quests of physics. Recent low-temperature experiments report different metallization pressures, varying from 360GPa to…
Anharmonic melting of the charge density wave in single-layer TiSe2
Jianqiang Sky Zhou, Lorenzo Monacelli, Raffaello Bianco +3
Low dimensional systems with a vanishing band-gap and a large electron-hole interaction have been proposed to be unstable towards exciton formation. As the exciton binding energy i…
Strong anharmonicity and high thermoelectric efficiency in high temperature SnS from first-principles
Unai Aseginolaza, Raffaello Bianco, Lorenzo Monacelli +5
SnS and SnSe are isoelectronic materials with a common phase diagram. Recently, SnSe was found to be the most efficient intrinsic thermoelectric material in its high-temperature Cm…